Iron in PDB 3wfx: Crystal Structure of the Imidazole-Bound Form of the Hgbrl'S Globin Domain

The structure of Crystal Structure of the Imidazole-Bound Form of the Hgbrl'S Globin Domain, PDB code: 3wfx was solved by A.H.Teh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.23 / 1.94
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	98.580, 44.330, 81.880, 90.00, 119.68, 90.00
R / Rfree (%)	18.3 / 23.4

The binding sites of Iron atom in the Crystal Structure of the Imidazole-Bound Form of the Hgbrl'S Globin Domain (pdb code 3wfx). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of the Imidazole-Bound Form of the Hgbrl'S Globin Domain, PDB code: 3wfx:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of the Imidazole-Bound Form of the Hgbrl'S Globin Domain


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of the Imidazole-Bound Form of the Hgbrl'S Globin Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:15.3 occ:1.00 FE A:HEM201 0.0 15.3 1.0 NB A:HEM201 2.0 12.4 1.0 ND A:HEM201 2.0 16.5 1.0 NA A:HEM201 2.0 13.4 1.0 NC A:HEM201 2.1 15.6 1.0 N1 B:IMD201 2.1 15.5 1.0 NE2 A:HIS81 2.1 15.5 1.0 C5 B:IMD201 3.0 14.4 1.0 CD2 A:HIS81 3.0 15.7 1.0 C4D A:HEM201 3.1 17.1 1.0 C1A A:HEM201 3.1 13.7 1.0 C4B A:HEM201 3.1 17.2 1.0 C1B A:HEM201 3.1 15.3 1.0 C1D A:HEM201 3.1 18.4 1.0 C4A A:HEM201 3.1 15.0 1.0 C1C A:HEM201 3.1 15.2 1.0 C4C A:HEM201 3.1 16.4 1.0 C2 B:IMD201 3.2 12.2 1.0 CE1 A:HIS81 3.2 12.8 1.0 CHA A:HEM201 3.4 16.6 1.0 CHC A:HEM201 3.4 12.1 1.0 CHD A:HEM201 3.4 14.3 1.0 CHB A:HEM201 3.4 12.7 1.0 C4 B:IMD201 4.2 16.8 1.0 CG A:HIS81 4.2 15.4 1.0 ND1 A:HIS81 4.2 12.5 1.0 N3 B:IMD201 4.3 17.0 1.0 C2B A:HEM201 4.3 18.7 1.0 C3A A:HEM201 4.3 18.6 1.0 C2A A:HEM201 4.3 13.7 1.0 C3B A:HEM201 4.3 15.7 1.0 C3D A:HEM201 4.3 17.9 1.0 C2D A:HEM201 4.3 18.9 1.0 C2C A:HEM201 4.3 15.7 1.0 C3C A:HEM201 4.4 14.0 1.0 CG2 B:VAL56 5.0 12.2 1.0

Iron binding site 2 out of 2 in the Crystal Structure of the Imidazole-Bound Form of the Hgbrl'S Globin Domain


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of the Imidazole-Bound Form of the Hgbrl'S Globin Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe203 b:13.8 occ:1.00 FE B:HEM203 0.0 13.8 1.0 NC B:HEM203 2.0 11.0 1.0 ND B:HEM203 2.0 9.4 1.0 NA B:HEM203 2.1 13.4 1.0 NB B:HEM203 2.1 10.0 1.0 NE2 B:HIS81 2.1 11.7 1.0 N1 A:IMD204 2.2 13.5 1.0 CD2 B:HIS81 3.0 12.3 1.0 C1C B:HEM203 3.0 12.4 1.0 C4D B:HEM203 3.0 14.0 1.0 C4B B:HEM203 3.0 13.0 1.0 C5 A:IMD204 3.0 14.1 1.0 C1A B:HEM203 3.0 12.4 1.0 C4C B:HEM203 3.1 11.9 1.0 C1D B:HEM203 3.1 14.3 1.0 C4A B:HEM203 3.1 14.6 1.0 C1B B:HEM203 3.1 14.5 1.0 C2 A:IMD204 3.2 12.6 1.0 CE1 B:HIS81 3.2 15.1 1.0 CHC B:HEM203 3.4 13.2 1.0 CHA B:HEM203 3.4 14.4 1.0 CHD B:HEM203 3.5 12.7 1.0 CHB B:HEM203 3.5 10.8 1.0 CG B:HIS81 4.2 13.5 1.0 C4 A:IMD204 4.2 7.3 1.0 C2C B:HEM203 4.2 10.4 1.0 C3D B:HEM203 4.3 15.3 1.0 ND1 B:HIS81 4.3 13.1 1.0 C3C B:HEM203 4.3 14.0 1.0 N3 A:IMD204 4.3 11.7 1.0 C3B B:HEM203 4.3 10.8 1.0 C2A B:HEM203 4.3 16.4 1.0 C2D B:HEM203 4.3 16.1 1.0 C3A B:HEM203 4.3 13.0 1.0 C2B B:HEM203 4.3 9.7 1.0 CG2 A:VAL56 4.9 18.2 1.0

A.H.Teh, J.A.Saito, N.Najimudin, M.Alam. Crystal Structure of A Novel Site-Swapped Globin: Proximal and Distal Sites Constituted By Two Separate Subunits To Be Published.